UCSF

ZINC41672127

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.70 5.71 -30.64 2 3 0 57 199.275 5
Hi High (pH 8-9.5) 1.70 4.5 -44.76 1 3 -1 52 198.267 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )